9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene (CAS 87771-55-9) — formula C21H16O3, molecular weight 316.3; category organic chemicals.
| CAS Number | 87771-55-9 |
|---|---|
| Molecular Formula | C21H16O3 |
| Molecular Weight | 316.3 |
| LogP | 3.7 |
| Category | Organic Chemicals |
9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene is a carbon-based organic compound with CAS registry number 87771-55-9 and molecular formula C21H16O3 (molecular weight 316.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 87771-55-9
Its molecular formula C21H16O3 comprises 21 C, 16 H, 3 O atoms.
Also known as: 9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene · 9-甲氧基-4,5-二羟基-4,5-二氢苯并(a)芘
Category: organic chemicals
The CAS registry number of 9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene is 87771-55-9.
Molecular formula C21H16O3, molecular weight 316.3.
It is also registered under: 9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene, 9-甲氧基-4,5-二羟基-4,5-二氢苯并(a)芘.
Category: Organic Chemicals.
Independent reference data for 9-methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene (CAS 87771-55-9), compiled from public chemistry databases.
| CAS 号 | 87771-55-9 |
|---|---|
| PubChem CID | 137351 |
| 分子式 | C21H16O3 |
| IUPAC 名称 | (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol |
| Molecular Weight | 316.3 |
|---|---|
| XLogP3 | 3.7 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 316.109944368 |
| Monoisotopic Mass | 316.109944368 |
| Topological Polar Surface Area | 49.7 |
| Heavy Atom Count | 24 |
9-Mdd-benzo(a)pyrene; 9-Methoxy-4,5-dihydrobenzo(a)pyrene-4,5-diol; 87771-55-9; 9-Methoxy-4,5-dihydroxy-4,5-dihydrobenzo(a)pyrene; Benzo(a)pyrene-4,5-diol, 4,5-dihydro-9-methoxy-, trans-; RefChem:107988; (4S,5S)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol; DTXSID701007785; 9-Methoxy-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol; (4S,5S)-9-Methoxy-4,5-dihydrobenzo[pqr]tetraphene-4,5-diol
9-甲氧基-4,5-二羟基-4,5-二氢苯并(a)芘 · CAS 87771-55-9 · C21H16O3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.